Names of 3 dimensional space groups - nwchemgit/nwchem GitHub Wiki

Names of 3-dimensional space groups

Web resources:

"A Hypertext Book of Crystallographic Space Group Diagrams and Tables" Birkbeck College, University of London http://img.chem.ucl.ac.uk/sgp/mainmenu.htm

NRL Crystal Lattice Structures 2

Three-Dimensional Space Groups from Steven Dutch, Natural and Applied Sciences, University of Wisconsin - Green Bay https://stevedutch.net/symmetry/3dspacegrps/3dspgrp.htm

REPRES, Space Group Irreducible Representations http://www.cryst.ehu.es/cgi-bin/cryst/programs/nph-repres

For many of the space groups there are multiple choices of symmetry transformations. They are denoted as settings for each of the groups. By default, the code will use the first setting. By defining setting <integer setting> on the symmetry input line (see Symmetry Group Input paragraph), you can tell the code to choose a different setting/symmetry transformation.

Names of 3 dimensional space groups - nwchemgit/nwchem GitHub Wiki

Names of 3-dimensional space groups

Triclinic space groups (group numbers: 1-2)

Monoclinic space groups (group numbers: 3-15)

Orthorhombic space groups (group numbers: 16-74)

Tetragonal space groups (group numbers: 75-142)

Trigonal space groups (group numbers: 143-167)

Hexagonal space groups (group numbers: 168-194)

Cubic space groups (group numbers: 195-230)